SCHEMBL2312684

SCHEMBL2312684

NC(Cc1ccc(Oc2ccc3ccccc3n2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
TPH1 P17752 7/20 0.48
PTPN1 P18031 2/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
ALOX5 P09917 1/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2312120 0.83 CYP3A4 (0.43) SLC7A5PKMPTGS1TPH1PTPN1
SCHEMBL2312128 0.83 CYP3A4 (0.43) SLC7A5PKMPTGS1TPH1PTPN1
Hydrochloric Acid SCHEMBL6480180 0.82 CYSLTR1 (0.42) CYSLTR2CYSLTR1ALOX5FFAR1AKR1B1
Hydrochloric Acid SCHEMBL6480174 0.82 CYSLTR1 (0.42) CYSLTR2CYSLTR1ALOX5FFAR1AKR1B1
SCHEMBL2307802 0.81 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2307814 0.81 SLC7A5 (0.43) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2309041 0.80 TPH1 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL2309034 0.80 TPH1 (0.45) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29584001 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL515521 0.79 SLC7A5 (0.70) SLC7A5ALPIPKMPTGS1XIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A SLC7A5 159/4885ALPI 4486/4885PKM 2505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.